> 3. If gen-pairs is "yes", then generate parameters for all 1-2, 1-3, and 1-4 > pairs for which we did not already find parameters in step 1 or 2 (regardless > of whether or not a [pairs] line exists for a particular pair).
Or rather, generate an [exclusions] record for each 1-2 and 1-3, and a [pairs] record for each 1-4. Peter-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
